N-(2-chloro-6-ethyl-4-methylphenyl)-1-[6-[N-(2-chloro-6-ethyl-4-methylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine;iron(2+);bis(triethyl(methanidyl)silane)

C51H67Cl2FeN3Si2 — CID 162451119

IUPACN-(2-chloro-6-ethyl-4-methylphenyl)-1-[6-[N-(2-chloro-6-ethyl-4-methylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine;iron(2+);bis(triethyl(methanidyl)silane)
SMILESCCc1cc(C)cc(Cl)c1/N=C(\c1ccccc1)c1cccc(/C(=N/c2c(Cl)cc(C)cc2CC)c2ccccc2)n1.[CH2-][Si](CC)(CC)CC.[CH2-][Si](CC)(CC)CC.[Fe+2]
InChIInChI=1S/C37H33Cl2N3.2C7H17Si.Fe/c1-5-26-20-24(3)22-30(38)34(26)41-36(28-14-9-7-10-15-28)32-18-13-19-33(40-32)37(29-16-11-8-12-17-29)42-35-27(6-2)21-25(4)23-31(35)39;2*1-5-8(4,6-2)7-3;/h7-23H,5-6H2,1-4H3;2*4-7H2,1-3H3;/q;2*-1;+2/b41-36+,42-37+;;;
InChIKeyAVNNNOBWASPLSP-BJQFXWJXSA-N
MW905.04 g/mol
LogP16.20
Rot. Bonds14

About N-(2-chloro-6-ethyl-4-methylphenyl)-1-[6-[N-(2-chloro-6-ethyl-4-methylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine;iron(2+);bis(triethyl(methanidyl)silane)

N-(2-chloro-6-ethyl-4-methylphenyl)-1-[6-[N-(2-chloro-6-ethyl-4-methylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine;iron(2+);bis(triethyl(methanidyl)silane) (PubChem CID 162451119) has the molecular formula C51H67Cl2FeN3Si2 and a molecular weight of 905.04 g/mol. Its IUPAC name is N-(2-chloro-6-ethyl-4-methylphenyl)-1-[6-[N-(2-chloro-6-ethyl-4-methylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine;iron(2+);bis(triethyl(methanidyl)silane).

Molecular Properties

Compound NameN-(2-chloro-6-ethyl-4-methylphenyl)-1-[6-[N-(2-chloro-6-ethyl-4-methylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine;iron(2+);bis(triethyl(methanidyl)silane)
PubChem CID162451119
Molecular FormulaC51H67Cl2FeN3Si2
Molecular Weight905.04 g/mol
Exact Mass903.36
IUPAC NameN-(2-chloro-6-ethyl-4-methylphenyl)-1-[6-[N-(2-chloro-6-ethyl-4-methylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine;iron(2+);bis(triethyl(methanidyl)silane)
SMILESCCc1cc(C)cc(Cl)c1/N=C(\c1ccccc1)c1cccc(/C(=N/c2c(Cl)cc(C)cc2CC)c2ccccc2)n1.[CH2-][Si](CC)(CC)CC.[CH2-][Si](CC)(CC)CC.[Fe+2]
InChIInChI=1S/C37H33Cl2N3.2C7H17Si.Fe/c1-5-26-20-24(3)22-30(38)34(26)41-36(28-14-9-7-10-15-28)32-18-13-19-33(40-32)37(29-16-11-8-12-17-29)42-35-27(6-2)21-25(4)23-31(35)39;2*1-5-8(4,6-2)7-3;/h7-23H,5-6H2,1-4H3;2*4-7H2,1-3H3;/q;2*-1;+2/b41-36+,42-37+;;;
InChIKeyAVNNNOBWASPLSP-BJQFXWJXSA-N
XLogP16.20
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500905.04
LogP ≤ 516.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-(2-chloro-6-ethyl-4-methylphenyl)-1-[6-[N-(2-chloro-6-ethyl-4-methylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine;iron(2+);bis(triethyl(methanidyl)silane) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[6-[N-(2-chloro-6-ethyl-4-methylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-N-(2-ethyl-4,6-dimethylphenyl)-1-phenylmethanimine;iron(2+);bis(methanidyl(trimethyl)silane)
CID 162451110
1-[6-[N-(2-chloro-6-methylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-N-(2-methyl-6-propan-2-ylphenyl)-1-phenylmethanimine;iron(2+);bis(triethyl(methanidyl)silane)
CID 162451139
1-[6-[N-(2-chloro-4,6-dimethylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-N-(2-chloro-6-methylphenyl)-1-phenylmethanimine
CID 162451109
N-(2-chloro-6-ethylphenyl)-1-[6-[N-(2-chloro-6-ethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;iron(2+);bis(triethyl(methanidyl)silane)
CID 162451117
N-(2-chloro-6-methylphenyl)-1-[6-[N-(2-chloro-6-methylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine;iron(2+);bis(methanidyl(trimethyl)silane)
CID 162451136
N-(2,6-diethyl-4-methylphenyl)-1-[6-[N-(2,6-diethyl-4-methylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;vanadium(2+);dichloride
CID 173243023
1-[6-[N-(2-chloro-6-methylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-N-(2-methyl-6-propan-2-ylphenyl)-1-phenylmethanimine;iron(2+);bis(methanidyl(trimethyl)silane)
CID 162451118
N-(2,6-diethyl-4-methylphenyl)-1-[6-[N-(2,6-diethyl-4-methylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;iron(3+);trichloride
CID 173243949
dichlorocobalt;N-(2,4-dimethylphenyl)-1-[6-[N-(2,4-dimethylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine
CID 142048555
N-(2-ethyl-6-propan-2-ylphenyl)-1-phenyl-1-pyridin-2-ylmethanimine
CID 142056339
dichlorocobalt;N-(2-ethylphenyl)-1-[6-[(2-ethylphenyl)iminomethyl]-2-pyridinyl]-1-phenylmethanimine
CID 142048598
cobalt(3+);N-(2,6-diethylphenyl)-1-[6-[N-(2,6-diethylphenyl)-C-methylcarbonimidoyl]-4-methyl-2-pyridinyl]ethanimine;trichloride
CID 173244594

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-ethyl-4-methylphenyl)-1-[6-[N-(2-chloro-6-ethyl-4-methylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine;iron(2+);bis(triethyl(methanidyl)silane)?
The IUPAC name of N-(2-chloro-6-ethyl-4-methylphenyl)-1-[6-[N-(2-chloro-6-ethyl-4-methylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine;iron(2+);bis(triethyl(methanidyl)silane) (CID 162451119) is N-(2-chloro-6-ethyl-4-methylphenyl)-1-[6-[N-(2-chloro-6-ethyl-4-methylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine;iron(2+);bis(triethyl(methanidyl)silane).
What is the SMILES notation for N-(2-chloro-6-ethyl-4-methylphenyl)-1-[6-[N-(2-chloro-6-ethyl-4-methylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine;iron(2+);bis(triethyl(methanidyl)silane)?
The canonical SMILES for N-(2-chloro-6-ethyl-4-methylphenyl)-1-[6-[N-(2-chloro-6-ethyl-4-methylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine;iron(2+);bis(triethyl(methanidyl)silane) is CCc1cc(C)cc(Cl)c1/N=C(\c1ccccc1)c1cccc(/C(=N/c2c(Cl)cc(C)cc2CC)c2ccccc2)n1.[CH2-][Si](CC)(CC)CC.[CH2-][Si](CC)(CC)CC.[Fe+2].
What is the InChIKey of N-(2-chloro-6-ethyl-4-methylphenyl)-1-[6-[N-(2-chloro-6-ethyl-4-methylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine;iron(2+);bis(triethyl(methanidyl)silane)?
The InChIKey is AVNNNOBWASPLSP-BJQFXWJXSA-N. The full InChI is InChI=1S/C37H33Cl2N3.2C7H17Si.Fe/c1-5-26-20-24(3)22-30(38)34(26)41-36(28-14-9-7-10-15-28)32-18-13-19-33(40-32)37(29-16-11-8-12-17-29)42-35-27(6-2)21-25(4)23-31(35)39;2*1-5-8(4,6-2)7-3;/h7-23H,5-6H2,1-4H3;2*4-7H2,1-3H3;/q;2*-1;+2/b41-36+,42-37+;;;.
What are the key properties of N-(2-chloro-6-ethyl-4-methylphenyl)-1-[6-[N-(2-chloro-6-ethyl-4-methylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine;iron(2+);bis(triethyl(methanidyl)silane)?
N-(2-chloro-6-ethyl-4-methylphenyl)-1-[6-[N-(2-chloro-6-ethyl-4-methylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine;iron(2+);bis(triethyl(methanidyl)silane) has a molecular weight of 905.04 g/mol, XLogP of 16.20, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-ethyl-4-methylphenyl)-1-[6-[N-(2-chloro-6-ethyl-4-methylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine;iron(2+);bis(triethyl(methanidyl)silane) is sourced from PubChem (CID 162451119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).